Monte Carlo Simulations of Guanidinium A
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Shailesh Saigal; Julianto Pranata
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Article
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1997
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Elsevier Science
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English
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Free energy profiles of guanidinium acetate and methylammonium acetate ion pairs in water were calculated using Monte Carlo simulations. Both systems display a single shallow free energy minimum at a distance corresponding to a contact ion pair. Hydrogen bonding between the ions is an important feat